Category: 616-47-7

Computed Properties of C4H6N2In 2021 ,《Ultrafast Dynamics and Liquid Structure in Mesoporous Silica: Propagation of Surface Effects in a Polar Aprotic Solvent》 was published in Journal of Physical Chemistry B. The article was written by Hung, Samantha T.; Yamada, Steven A.; Zheng, Weizhong; Fayer, Michael D.. The article contains the following contents:

Enhancement of processes ranging from gas sorption to ion conduction in a liquid can be substantial upon nanoconfinement. Here, the dynamics of a polar aprotic solvent, 1-methylimidazole (MeIm), in mesoporous silica (2.8, 5.4, and 8.3 nm pore diameters) were examined using femtosecond IR vibrational spectroscopy and mol. dynamics simulations of a dilute probe, the selenocyanate (SeCN-) anion. The long vibrational lifetime and sensitivity of the CN stretch enabled a comprehensive investigation of the relatively slow time scales and subnanometer distance dependences of the confined dynamics. Because MeIm does not readily donate hydrogen bonds, its interactions in the hydrophilic silanol pores differ more from the bulk than those of water confined in the same mesopores, resulting in greater structural order and more dramatic slowing of dynamics. The extent of surface effects was quantified by modified two-state models used to fit three spatially averaged exptl. observables: vibrational lifetime, orientational relaxation, and spectral diffusion. The length scales and the models (smoothed step, exponential decay, and simple step) describing the transitions between the distinctive shell behavior at the surface and the bulk-like behavior at the pore interior were compared to those of water. The highly nonuniform distributions of the SeCN- probe and antiparallel layering of MeIm revealed by the simulations guided the interpretation of the results and development of the anal. models. The results illustrate the importance of electrostatic effects and H-bonding interactions in the behavior of confined liquids In the experimental materials used by the author, we found 1-Methyl-1H-imidazole(cas: 616-47-7Computed Properties of C4H6N2)

1-Methyl-1H-imidazole(cas: 616-47-7) is used as a precursor for the synthesis of pyrrole-imidazole polyamides, ionic liquids such as 1-butyl-3-methylimidazolium hexafluorophosphate.Computed Properties of C4H6N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Vegetable oil-based thiol-ene/thiol-epoxy resins for laser direct writing 3D micro-/nano-lithography》 was written by Grauzeliene, Sigita; Navaruckiene, Aukse; Skliutas, Edvinas; Malinauskas, Mangirdas; Serra, Angels; Ostrauskaite, Jolita. Electric Literature of C4H6N2This research focused onvegetable oil thiol ene epoxy resin laser direct writing; biobased polymer; click reactions; dual curing; laser direct writing; linseed oil; optical 3D printing; soybean oil; thiol-ene; thiol-epoxy. The article conveys some information:

The use of renewable sources for optical 3D printing instead of petroleum-based materials is increasingly growing. Combinations of photo- and thermal polymerization in dual curing processes can enhance the thermal and mech. properties of the synthesized thermosets. Consequently, thiol-ene/thiol-epoxy polymers were obtained by combining UV and thermal curing of acrylated epoxidized soybean oil and epoxidized linseed oil with thiols, benzene-1,3-dithiol and pentaerythritol tetra(3-mercaptopropionate). Thiol-epoxy reaction was studied by calorimetry. The changes of rheol. properties were examined during UV, thermal and dual curing to select the most suitable formulations for laser direct writing (LDW). The obtained polymers were characterized by dynamic-mech. thermal anal., thermogravimetry, and mech. testing. The selected dual curable mixture was tested in LDW 3D lithog. for validating its potential in optical micro- and nano-additive manufacturing The obtained results demonstrated the suitability of epoxidized linseed oil as a biobased alternative to bisphenol A diglycidyl ether in thiol-epoxy thermal curing reactions. Dual cured thermosets showed higher rigidity, tensile strength, and Young’s modulus values compared with UV-cured thiol-ene polymers and the highest thermal stability from all prepared polymers. LDW results proved their suitability for high resolution 3D printing-individual features reaching an unprecedented 100 nm for plant-based materials. Finally, the biobased resin was tested for thermal post-treatment and 50% feature downscaling was achieved. In the part of experimental materials, we found many familiar compounds, such as 1-Methyl-1H-imidazole(cas: 616-47-7Electric Literature of C4H6N2)

1-Methyl-1H-imidazole(cas: 616-47-7) is used as a precursor for the synthesis of pyrrole-imidazole polyamides, ionic liquids such as 1-butyl-3-methylimidazolium hexafluorophosphate.Electric Literature of C4H6N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Para-xylyl linked bis-imidazolium ionic liquids: A study of the conformers of the cation and of the anion-cation hydrogen bonding》 was written by Haddad, Boumediene; Paolone, Annalisa; Drai, Mokhtar; Boumediene, Mostefa; Villemin, Didier; Belarbi, El-habib; Rahmouni, Mustapha; Bresson, Serge; Abbas, Ouissam. Recommanded Product: 616-47-7This research focused onxylyl imidazolium ionic liquid hydrogen bond conformer Raman spectrum. The article conveys some information:

In this work, two new para-xylyl linked bis-imidazolium Ionic Liquids (DILs), namely [p-C6H4(CH2ImMe)2][Cl2-] and [p-C6H4(CH2ImMe)2+][BF4-]2, are prepared from imidazolium salts using a simple procedure in two steps. A computational study of the conformers of [p-C6H4(CH2ImMe)2], performed by means of DFT calculations with the 6-31G** basis set and the B3LYP theory, evidences that nine possible geometries of the cation are stable points of the potential energy surface and, therefore, could be exptl. found in real compounds The IR and Raman spectra of the nine conformers are calculated and compared to the exptl. data. The occurrence of the trans configuration of the imidazolium rings in both compounds is strongly supported by this comparison. Finally, the cation-anion interactions were investigated in both DILs by means of NMR and Raman measurements, with a particular attention to the occurrence of hydrogen bonding. Both techniques indicate that hydrogen bonding is stronger in the sample containing Cl as anion. Moreover, the preferred site for hydrogen bonding is the C2 proton of the imidazolium ring; however, also the C(4) and C(5) protons of imidazolium, the methylene group and the Ph ring participate to the hydrogen bonding.1-Methyl-1H-imidazole(cas: 616-47-7Recommanded Product: 616-47-7) was used in this study.

1-Methyl-1H-imidazole(cas: 616-47-7) is used as a precursor for the synthesis of pyrrole-imidazole polyamides, ionic liquids such as 1-butyl-3-methylimidazolium hexafluorophosphate.Recommanded Product: 616-47-7

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Name: 1-Methyl-1H-imidazoleIn 2022 ,《Surface Structure of Alkyl/Fluoroalkylimidazolium Ionic-Liquid Mixtures》 was published in Journal of Physical Chemistry B. The article was written by Purcell, Simon M.; Lane, Paul D.; DAndrea, Lucia; Elstone, Naomi S.; Bruce, Duncan W.; Slattery, John M.; Smoll, Eric J. Jr.; Greaves, Stuart J.; Costen, Matthew L.; Minton, Timothy K.; McKendrick, Kenneth G.. The article contains the following contents:

The gas-liquid interface of ionic liquids (ILs) is critically important in many applications, for example, in supported IL phase (SILP) catalysis. Methods to investigate the interfacial structure in these systems will allow their performance to be improved in a rational way. In this study, reactive-atom scattering (RAS), surface tension measurements, and mol. dynamics (MD) simulations were used to study the vacuum interface of mixtures of partially fluorinated and normal alkyl ILs. The underlying aim was to understand whether fluorinated IL ions could be used as additives to modify the surface structure of one of the most widely used families of alkyl ILs. The series of ILs 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([Cnmim][Tf2N]) with n = 4-12 were mixed with a fixed-length, semiperfluorinated analog (1H,1H,2H,2H-perfluorooctyl)-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([C8mimF13][Tf2N]), forming [Cnmim](1-x)[C8mimF13]x[Tf2N] mixtures, where x is the bulk mole fraction of the fluorinated component. The RAS-LIF method combined O-atom projectiles with laser-induced fluorescence (LIF) detection of the product OH as a measure of surface exposure of the alkyl chains. For [C8mim](1-x)[C8mimF13]x[Tf2N] mixtures, RAS-LIF OH yields are below those expected from stoichiometry. There are quant. consistent neg. deviations from linearity of the surface tension. Both results imply that the lower-surface-tension fluoroalkyl material dominates the surface. A similar deficit is found for alkyl chain lengths n = 4, 6, 8, and 12 and for all (nonzero) x investigated by RAS-LIF. Accessible-surface-area (ASA) analyses of the MD simulations for [Cnmim](1-x)[C8mimF13]x[Tf2N] mixtures qual. reproduce the same primary effect of fluoro-chain predominance of the surface over most of the range of n. However, there are significant quant. discrepancies between MD ASA predictions and experiment relating to the strength of any n-dependence of the relative alkyl coverage at fixed x, and on the x-dependence at fixed n. These discrepancies are discussed in the context of detailed examinations of the surface structures predicted in the MD simulations. Potential explanations, beyond exptl. artifacts, include inadequacies in the classical force fields used in the MD simulations or the inability of simple ASA algorithms to capture dynamical factors that influence RAS-LIF yields. Side view of representative single MD snapshots of pure [Cnmim][Tf2N] (upper row) and [C8mim]0.75 [C8mimF13]0.25 [Tf2N] mixtures (lower row) for n = 4, 6, 8, and 12. Color scheme as in Figure.1-Methyl-1H-imidazole(cas: 616-47-7Name: 1-Methyl-1H-imidazole) was used in this study.

1-Methyl-1H-imidazole(cas: 616-47-7) is used as a precursor for the synthesis of pyrrole-imidazole polyamides, ionic liquids such as 1-butyl-3-methylimidazolium hexafluorophosphate.Name: 1-Methyl-1H-imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2022,Gougoula, Eva; Cummings, Charlotte N.; Medcraft, Chris; Heitkaemper, Juliane; Walker, Nicholas R. published an article in Physical Chemistry Chemical Physics. The title of the article was 《Microwave spectra, molecular geometries, and internal rotation of CH3 in N-methylimidazole···H2O and 2-methylimidazole···H2O complexes》.Safety of 1-Methyl-1H-imidazole The author mentioned the following in the article:

Broadband microwave spectra have been recorded between 7.0 and 18.5 GHz for N-methylimidazole···H2O and 2-methylimidazole···H2O complexes. Each complex was generated by co-expansion of low concentrations of methylimidazole and H2O in argon buffer gas. The rotational spectra of five isotopologues of each complex have been assigned and analyzed to determine rotational constants (A0, B0, C0), centrifugal distortion constants (DJ, DJK) and parameters that describe the internal rotation of the CH3 group. The results allow the determination of parameters in the (r0) mol. geometry of each complex. H2O is the hydrogen bond donor and the pyridinic nitrogen of imidazole is the hydrogen bond acceptor in each case. The ∠(O-Hb···N3) angles are 177(5)° and 166.3(28)° for N-methylimidazole···H2O and 2-methylimidazole···H2O resp. These results are consistent with the presence of a weak electrostatic interaction between the oxygen atom of H2O and the hydrogen atom (or CH3 group) attached to the C2 carbon atom of imidazole, and with the results of d. functional theory calculations The (V3) barrier to internal rotation of the CH3 group within N-methylimidazole···H2O is essentially unchanged from the value of this parameter for the N-methylimidazole monomer. The same parameter is significantly higher for the 2-methylimidazole···H2O complex than for the 2-methylimidazole monomer as a consequence of the weak electrostatic interaction between the O atom and the CH3 group of 2-methylimidazole. The experimental part of the paper was very detailed, including the reaction process of 1-Methyl-1H-imidazole(cas: 616-47-7Safety of 1-Methyl-1H-imidazole)

1-Methyl-1H-imidazole(cas: 616-47-7) is used as a precursor for the synthesis of pyrrole-imidazole polyamides, ionic liquids such as 1-butyl-3-methylimidazolium hexafluorophosphate.Safety of 1-Methyl-1H-imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Proton transfer dynamics in the aprotic proton accepting solvent 1-methylimidazole》 was written by Thomaz, Joseph E.; Walker, Alice R.; Van Wyck, Stephen J.; Meisner, Jan; Martinez, Todd J.; Fayer, Michael D.. Related Products of 616-47-7 And the article was included in Journal of Physical Chemistry B in 2020. The article conveys some information:

The dynamics of proton transfer to the aprotic solvent 1-methylimidazole (MeIm, proton acceptor) from the photoacid 8-hydroxypyrene-1,3,6-trisulfonic acid trisodium salt (HPTS) was investigated using fast fluorescence measurements. The closely related mol., 8-methoxypyrene-1,3,6-trisulfonic acid trisodium salt (MPTS), which is not a photoacid, was also studied for comparison. Following optical excitation, the wavelength-dependent population dynamics of HPTS in MeIm resulting from the deprotonation process were collected over the entire fluorescence emission window. Anal. of the time-dependent fluorescence spectra revealed four distinct fluorescence bands that appear and decay on different time scales. We label these four states as protonated (P), associated I (AI), associated II (AII), and deprotonated (D). We find that the simple kinetic scheme of P → AI → AII → D is not consistent with the data. Instead, the kinetic scheme that describes the data has P decaying into AI, which mainly goes on to deprotonation (D), but AI can also feed into AII. AII can return to AI or decay to the ground state, but does not deprotonate within exptl. error. Quantum chem. and excited state QM/MM Born-Oppenheimer mol. dynamics simulations indicate that AI and AII are two H-bonding conformations of MeIm to the HPTS hydroxyl, axial, and equatorial, resp. After reading the article, we found that the author used 1-Methyl-1H-imidazole(cas: 616-47-7Related Products of 616-47-7)

1-Methyl-1H-imidazole(cas: 616-47-7) is used as a precursor for the synthesis of pyrrole-imidazole polyamides, ionic liquids such as 1-butyl-3-methylimidazolium hexafluorophosphate.Related Products of 616-47-7

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Kumar, Harsh; Kaur, Gagandeep published their research in Journal of Surfactants and Detergents in 2021. The article was titled 《Aggregation Behavior of Mixed Micellar System of Dodecyl Sulfate-Based Surface-Active Ionic Liquids and Anionic Surfactant in Aqueous Media》.Formula: C4H6N2 The article contains the following contents:

Mixed micellization behavior of dodecyl sulfate-based ionic liquids, i.e., 1-propyl-3-methylimidazolium dodecyl sulfate [C3mim][DS] and 1-hexyl-3-methylimidazolium dodecyl sulfate [C6mim][DS] with sodium dodecyl sulfate (SDS), is investigated at (298.15, 308.15, and 318.15) K in aqueous medium. For this, the conductometric measurements are carried out to evaluate the critical micelle concentrations (cmc), ideal critical micelle concentration (cmc*), degree of counterion dissociation (g), thermodn. parameters, micellar mole fraction of ionic liquids, and interaction parameter (β) of the mixed system based on the different proposed models given in the literature. Further surface tension measurements have been carried out to confirm the value of cmc obtained via a conductivity study for all the studied systems at 298.15 K. Other surface parameters, such as surface tension at cmc (γcmc), surface pressure ([n.7464]cmc), surface excess (Γmax), and min. area per mol. (Amin), have also been evaluated for both the systems. In the experimental materials used by the author, we found 1-Methyl-1H-imidazole(cas: 616-47-7Formula: C4H6N2)

1-Methyl-1H-imidazole(cas: 616-47-7) is actively involved in removing acid during the production of diethoxyphenylphosphine. It is used as an intermediate in organic synthesis.Formula: C4H6N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Yang, Lixia; Han, Yuexia; Jiao, Zhen published an article in 2021. The article was titled 《Measurement and Correlation of Liquid-Liquid Equilibria of Water (1) + 1-Methylimidazole (2) + [Bmim][PF6] (3) Ternary Systems between 303.15 and 323.15 K》, and you may find the article in Journal of Chemical & Engineering Data.Computed Properties of C4H6N2 The information in the text is summarized as follows:

To obtain the basic data for the recovery of 1-methylimidazole from wastewater by extraction, the ternary liquid-liquid phase equilibrium data of the water (1) + 1-methylimidazole (2) + 1-butyl-3-methylimidazolium hexafluorophosphate ([Bmim][PF6]) (3) system were determined using an equilibrium autoclave at the temperatures of 303.15 to 323.15 K and 101.32 kPa. The solute distribution coefficient (D) and the selectivity (S) of the ternary system were calculated in accordance with the exptl. data. Their values were up to 1.39 and 41.17, resp., which showed that the ionic liquid can extract 1-methylimidazole effectively. The exptl. results showed that the temperature had a slight effect on the liquid-liquid equilibrium behavior. Meanwhile, the calculated results revealed that the selectivity coefficient decreased with the enhancing concentration of 1-methylimidazole in the ternary system and the increasing temperature In addition, the nonrandom two liquid (NRTL) model was used for correlation of the ternary systems. The root-mean-square deviation value of 0.0218 indicated that the calculated results using the model were in good agreement with the exptl. data and were reliable to apply to practice. The experimental part of the paper was very detailed, including the reaction process of 1-Methyl-1H-imidazole(cas: 616-47-7Computed Properties of C4H6N2)

1-Methyl-1H-imidazole(cas: 616-47-7) is used as a precursor for the synthesis of pyrrole-imidazole polyamides, ionic liquids such as 1-butyl-3-methylimidazolium hexafluorophosphate.Computed Properties of C4H6N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Recommanded Product: 616-47-7In 2021 ,《Immunoinformatics and Pepscan strategies on the path of a peptide-based serological diagnosis of COVID19》 was published in Journal of Immunological Methods. The article was written by Lorenzo, Maria A.; Pachon, Diana; Maier, Alexandra; Bermudez, Henry; Losada, Sandra; Toledo, Marilyan; Pujol, Flor H.; Alarcon de Noya, Belkisyole; Noya, Oscar; Serrano, Maria Luisa. The article contains the following contents:

Several diagnostic tools have been developed for clin. and epidemiol. assays. RT-PCR and antigen detection tests are more useful for diagnosis of acute disease, while antibody tests allow the estimation of exposure in the population. Currently, there is an urgent need for the development of diagnostic tests for COVID-19 that can be used for large-scale epidemiol. sampling. Through a comprehensive strategy, potential 16 mer antigenic peptides suited for antibody-based SARS-CoV-2 diagnosis were identified. A systematic scan of the three structural proteins (S,N and M) and the non-structural proteins (ORFs) present in the SARS-CoV-2 virus was conducted through the combination of immunoinformatic methods, peptide SPOT synthesis and an immunoassay with cellulose-bound peptides (Pepscan). The Pepscan filter paper sheets with synthetic peptides were tested against pools of sera of COVID-19 patients. Antibody recognition showed a strong signal for peptides corresponding to the S, N and M proteins of SARS-CoV-2 virus, but not for the ORFs proteins. The peptides exhibiting higher signal intensity were found in the C-terminal region of the N protein. Several peptides of this region showed strong recognition with all three Igs in the pools of sera. The differential reactivity observed between the different Ig isotypes (IgA, IgM and IgG) within different regions of the S and N proteins, can be advantageous for ensuring accurate diagnosis of all infected patients, with different times of exposure to infection. Few peptides of the M protein showed antibody recognition and no recognition was observed for peptides of the ORFs proteins. The results came from multiple reactions, including the reaction of 1-Methyl-1H-imidazole(cas: 616-47-7Recommanded Product: 616-47-7)

1-Methyl-1H-imidazole(cas: 616-47-7) is used as a precursor for the synthesis of pyrrole-imidazole polyamides, ionic liquids such as 1-butyl-3-methylimidazolium hexafluorophosphate.Recommanded Product: 616-47-7

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Synthesis, thermal stability, vibrational spectra and conformational studies of novel dicationic meta-xylyl linked bis-1-methylimidazolium ionic liquids》 was written by Boumediene, Mostefa; Haddad, Boumediene; Paolone, Annalisa; Drai, Mokhtar; Villemin, Didier; Rahmouni, Mustapha; Bresson, Serge; Abbas, Ouissam. Formula: C4H6N2This research focused onxylyl methylimidazolium ionic liquid thermal stability IR Raman spectra. The article conveys some information:

In recent years, dicationic ionic liquids have been subject of a strongly growing research effort for their interesting and important properties that suggest them to be potential candidate for many applications. Therefore, the knowledge about the synthesis, thermal stability, vibrational spectra and conformational behavior of these compounds is an important subject of study. The objective of the work presented in this paper is to investigate the influence of the substituent relative meta-position of dicationic ionic liquids (ILs), namely meta-xylyl linked bis-1-methylimidazolium ILs, on thermal stability, vibrational spectra and conformational studies. The obtained dicationic ILs were characterized by 1H NMR, 13C NMR, 19F NMR, 31P NMR and FT-IR spectroscopy. Also, their thermal properties were determined and compared. The thermal behavior confirmed that [m-C6H4(CH2ImMe)2+] dicationic ILs containing [(CF3SO2)2N-]2 and [PF6-]2 are more stable that the dichloride [Cl-]2, and bis(tetrafluoroborate) [BF4-]2 dicationic ILs, and they show a good thermal stability up to 340 °C which makes them suitable for thermal application. In the next step, a computational study of the conformers of [m-C6H4(CH2ImMe)2+], by means of DFT calculations with the 6-31G** basis set and the B3LYP theory was performed. Addnl., vibrational spectroscopy studies were conducted by IR (FTIR) and Raman (FT-Raman) spectroscopy on the four dicationic ILs, differing for their anions. Finally a computational investigation of the interactions between anions and cation is presented. In the experiment, the researchers used many compounds, for example, 1-Methyl-1H-imidazole(cas: 616-47-7Formula: C4H6N2)

1-Methyl-1H-imidazole(cas: 616-47-7) is used as a precursor for the synthesis of pyrrole-imidazole polyamides, ionic liquids such as 1-butyl-3-methylimidazolium hexafluorophosphate.Formula: C4H6N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem